SCHEMBL13102481

SCHEMBL13102481

Cc1cnn(Cc2ccc(N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 17/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KLK1 P06870 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15759268 0.87 KLKB1 (0.51) KLKB1LMNAMAPTKLK1KMT2A
SCHEMBL27239076 0.86 KLKB1 (0.65) KLKB1KLK1
SCHEMBL13813853 0.84 KCNH2 (0.53) KLKB1LMNAMAPTKMT2A
SCHEMBL17232474 0.84 KLKB1 (0.49) KLKB1LMNAMAPTKLK1MEN1
SCHEMBL16246747 0.84 KLKB1 (0.49) KLKB1LMNAMAPTKLK1KMT2A
SCHEMBL17540824 0.83 KLKB1 (0.46) KLKB1LMNAMAPTKLK1KMT2A
SCHEMBL3593783 0.82 MAPT (0.68) KLKB1LMNAMAPTMEN1KMT2A
SCHEMBL15033959 0.82 KLKB1 (0.51) KLKB1LMNAMAPTKLK1
SCHEMBL16246702 0.82 KLKB1 (0.48) KLKB1LMNAMAPTKLK1KMT2A
SCHEMBL130830 0.81 L3MBTL1 (0.62) KLKB1MEN1KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 EP disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 KLKB1 2489/4885LMNA 2810/4885MAPT 718/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 KLKB1 2919/4885LMNA 2404/4885MAPT 3871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.